Tetrahedral structure in LiKSO4 crystals studied by Li-7 and K-39 NMR

The Li-7 and K-39 nuclear magnetic resonances in a LiKSO4 single crystal gr own by the slow evaporation method were investigated by employing an NMR sp ectrometer. From the experimental data, the quadrupole coupling constant an d asymmetry parameter were determined at room temperature. The principal ax es corresponding to the largest principal value of the Li-7 and K-39 EFG te nsors were parallel to the hexagonal c-axis. This direction was determined to be the Z-axis of the EFG tensor. The EFG tensor of Li-7 and K-39 was fou nd to be non-axially symmetric; the lithium ion is surrounded by oxygen ato ms located at a slightly distorted tetrahedron, and the resultant coordinat ing potassium ion was enclosed by the oxygen atoms located at nine distorte d tetrahedra. (C) 2001 Elsevier Science Ltd. All rights reserved.